5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C13H8BrN3O — CID 750612

IUPAC5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESBrc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C13H8BrN3O/c14-10-6-2-1-5-9(10)13-16-12(17-18-13)11-7-3-4-8-15-11/h1-8H
InChIKeyRRQOJHAQLPRAMR-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.56
Rot. Bonds2

About 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 750612) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID750612
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESBrc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C13H8BrN3O/c14-10-6-2-1-5-9(10)13-16-12(17-18-13)11-7-3-4-8-15-11/h1-8H
InChIKeyRRQOJHAQLPRAMR-UHFFFAOYSA-N
XLogP3.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 1484241
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 146124457
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 142165311
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
CID 979035
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 750612) is 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is Brc1ccccc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is RRQOJHAQLPRAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-10-6-2-1-5-9(10)13-16-12(17-18-13)11-7-3-4-8-15-11/h1-8H.
What are the key properties of 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 302.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 750612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).